N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C19H27N3O2S — CID 55948234

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCC(CNC(=O)CC1Sc2ccccc2NC1=O)CN1CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-14(13-22-9-5-2-6-10-22)12-20-18(23)11-17-19(24)21-15-7-3-4-8-16(15)25-17/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyYDUJPSNPNJDROF-UHFFFAOYSA-N
MW361.51 g/mol
LogP2.73
Rot. Bonds6

About N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55948234) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55948234
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCC(CNC(=O)CC1Sc2ccccc2NC1=O)CN1CCCCC1
InChIInChI=1S/C19H27N3O2S/c1-14(13-22-9-5-2-6-10-22)12-20-18(23)11-17-19(24)21-15-7-3-4-8-16(15)25-17/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyYDUJPSNPNJDROF-UHFFFAOYSA-N
XLogP2.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55723978
N-(4-methyl-2-morpholin-4-ylpentyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55547756
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-phenylbutyl]acetamide
CID 25397114
N'-[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]propanehydrazide
CID 770317
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9472923
N-[2-(dimethylamino)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 40591425
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 92696595
(2R)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751402
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
(2S)-N-ethyl-2-[[2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]propanamide
CID 8751407

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55948234) is N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CC(CNC(=O)CC1Sc2ccccc2NC1=O)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is YDUJPSNPNJDROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-14(13-22-9-5-2-6-10-22)12-20-18(23)11-17-19(24)21-15-7-3-4-8-16(15)25-17/h3-4,7-8,14,17H,2,5-6,9-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 361.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55948234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).